N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide

C26H27N5O4 — CID 25160350

IUPACN-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
SMILESCN(C(=O)c1ccc2c(n1)OCCO2)C1CCN(CCn2c(=O)ccc3ccc(C#N)cc32)CC1
InChIInChI=1S/C26H27N5O4/c1-29(26(33)21-5-6-23-25(28-21)35-15-14-34-23)20-8-10-30(11-9-20)12-13-31-22-16-18(17-27)2-3-19(22)4-7-24(31)32/h2-7,16,20H,8-15H2,1H3
InChIKeyAWPVAYSEMMBVJN-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.28
Rot. Bonds5

About N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide

N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide (PubChem CID 25160350) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
PubChem CID25160350
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC NameN-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
SMILESCN(C(=O)c1ccc2c(n1)OCCO2)C1CCN(CCn2c(=O)ccc3ccc(C#N)cc32)CC1
InChIInChI=1S/C26H27N5O4/c1-29(26(33)21-5-6-23-25(28-21)35-15-14-34-23)20-8-10-30(11-9-20)12-13-31-22-16-18(17-27)2-3-19(22)4-7-24(31)32/h2-7,16,20H,8-15H2,1H3
InChIKeyAWPVAYSEMMBVJN-UHFFFAOYSA-N
XLogP2.28
TPSA100.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide with MolForge

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Related Compounds

7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 25160349
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate
CID 175061198
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66843618
1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile
CID 130336630
1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile
CID 68610480
1-[2-[(3R,4S)-3-hydroxy-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-2-oxoquinoline-7-carbonitrile;dihydrochloride
CID 25008764
2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 69289891
1-[2-[(3aS,7aR)-2-oxo-1-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl]ethyl]-2-oxoquinoline-7-carbonitrile
CID 137470105
tert-butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[1-[2-(7-methyl-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 59398272
tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66774842
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinolin-2-one
CID 11983362
2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile
CID 130303541

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide (CID 25160350) is N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide is CN(C(=O)c1ccc2c(n1)OCCO2)C1CCN(CCn2c(=O)ccc3ccc(C#N)cc32)CC1.
What is the InChIKey of N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?
The InChIKey is AWPVAYSEMMBVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-29(26(33)21-5-6-23-25(28-21)35-15-14-34-23)20-8-10-30(11-9-20)12-13-31-22-16-18(17-27)2-3-19(22)4-7-24(31)32/h2-7,16,20H,8-15H2,1H3.
What are the key properties of N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?
N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 25160350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).